4C7L
Crystal structure of Mouse Hepatitis virus strain S Hemagglutinin- esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.830, 108.760, 125.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.760 - 2.100 |
R-factor | 0.18765 |
Rwork | 0.186 |
R-free | 0.21873 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cl5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.243 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.220 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.700 |
Number of reflections | 73858 | |
<I/σ(I)> | 12.9 | 2.9 |
Completeness [%] | 99.5 | 96.8 |
Redundancy | 7.4 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.6 | 0.2 M KH2PO4, 0.2 M SODIUM MALONATE, 15% (W/V) PEG3350 AND 5% (W/V) GLYCEROL, pH 3.6 |